1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone

C22H26N2O6S — CID 55996847

IUPAC1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCOCCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C22H26N2O6S/c1-17(25)18-6-5-7-19(16-18)31(27,28)24-12-10-23(11-13-24)22(26)20-8-3-4-9-21(20)30-15-14-29-2/h3-9,16H,10-15H2,1-2H3
InChIKeyQFFGXWIUBLGHBV-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.06
Rot. Bonds8

About 1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone

1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone (PubChem CID 55996847) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is 1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
PubChem CID55996847
Molecular FormulaC22H26N2O6S
Molecular Weight446.53 g/mol
Exact Mass446.15
IUPAC Name1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCOCCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C22H26N2O6S/c1-17(25)18-6-5-7-19(16-18)31(27,28)24-12-10-23(11-13-24)22(26)20-8-3-4-9-21(20)30-15-14-29-2/h3-9,16H,10-15H2,1-2H3
InChIKeyQFFGXWIUBLGHBV-UHFFFAOYSA-N
XLogP2.06
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 55758399
[2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 51124620
1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 110818095
[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 30872670
ethyl 6-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridine-3-carboxylate
CID 55633073
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 55595827
(5-fluoro-2-methoxyphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31305536
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide
CID 19257253
1-[3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone
CID 9301071
1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
CID 54793768
N-[2-(2-methoxyphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43009482

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone (CID 55996847) is 1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone is COCCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1.
What is the InChIKey of 1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is QFFGXWIUBLGHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S/c1-17(25)18-6-5-7-19(16-18)31(27,28)24-12-10-23(11-13-24)22(26)20-8-3-4-9-21(20)30-15-14-29-2/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone?
1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 446.53 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 55996847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).